7-[(2-cyano-2-phenyl-ethanoyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-[(2-cyano-2-phenyl-ethanoyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[(2-cyano-2-phenyl-acetyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[(2-cyano-1-oxo-2-phenylethyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[(2-cyano-2-phenylacetyl)amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-[(2-cyano-2-phenyl-acetyl)amino]-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)C(C#N)C3=CC=CC=C3

Isomeric SMILES

C=C1CSC2C(C(=O)N2C1C(=O)O)NC(=O)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-9-8-25-16-12(15(22)20(16)13(9)17(23)24)19-14(21)11(7-18)10-5-3-2-4-6-10/h2-6,11-13,16H,1,8H2,(H,19,21)(H,23,24)